[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] benzenesulfonate

Systemtic Name: [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] benzenesulfonate Openeye Name: [3-(p-tolylsulfonylcarbamoylamino)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[[[(4-methylphenyl)sulfonylamino]-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-(tosylcarbamoylamino)phenyl] ester Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O6S2/c1-15-10-12-18(13-11-15)29(24,25)22-20(23)21-16-6-5-7-17(14-16)28-30(26,27)19-8-3-2-4-9-19/h2-14H,1H3,(H2,21,22,23)